==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-MAY-13 4BO6 . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.D.CUKIER,R.SCHNELL,Y.LINDQVIST,G.SCHNEIDER . 957 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38428.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 746 78.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 74 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 371 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 0 0 3 0 0 0 8 4 4 0 0 0 0 0 0 0 1 2 0 1 3 1 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 3 10 7 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 -1 A Q > 0 0 165 0, 0.0 3,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-174.3 -12.0 12.4 -69.2 2 0 A S T 3 + 0 0 56 1,-0.2 215,-0.5 3,-0.0 214,-0.5 0.156 360.0 69.5 -89.3 14.8 -10.4 13.6 -65.9 3 1 A M T 3 S+ 0 0 20 212,-0.1 -1,-0.2 213,-0.1 2,-0.1 0.342 78.7 128.8 -99.5 -0.4 -11.7 10.3 -64.3 4 2 A S < - 0 0 51 -3,-0.7 212,-0.2 1,-0.1 27,-0.2 -0.291 40.9-176.8 -71.1 138.5 -9.1 8.5 -66.4 5 3 A L > + 0 0 2 25,-3.2 3,-2.5 22,-0.2 28,-0.3 0.013 28.9 153.3-113.5 26.3 -6.5 6.0 -65.0 6 4 A Q T 3 S+ 0 0 149 24,-0.3 26,-0.2 1,-0.3 3,-0.1 -0.363 70.0 20.0 -62.3 127.1 -4.7 5.4 -68.3 7 5 A G T 3 S+ 0 0 73 24,-0.7 2,-0.4 1,-0.3 -1,-0.3 0.365 99.0 118.2 93.9 -3.3 -1.1 4.4 -67.5 8 6 A K < - 0 0 44 -3,-2.5 25,-3.0 23,-0.2 2,-0.6 -0.807 55.1-145.7 -96.2 140.8 -1.8 3.3 -63.9 9 7 A V E -a 33 0A 16 75,-0.5 77,-1.8 -2,-0.4 78,-1.7 -0.899 19.8-166.0 -99.1 123.8 -1.4 -0.2 -62.6 10 8 A A E -ab 34 87A 0 23,-2.6 25,-2.7 -2,-0.6 2,-0.5 -0.885 9.7-155.8-110.7 142.0 -4.0 -1.0 -60.0 11 9 A L E -ab 35 88A 2 76,-3.1 78,-3.1 -2,-0.4 2,-0.5 -0.979 11.1-175.4-114.3 123.2 -3.9 -4.0 -57.6 12 10 A V E -ab 36 89A 0 23,-2.9 25,-2.0 -2,-0.5 3,-0.3 -0.971 13.5-149.0-122.4 114.0 -7.2 -5.2 -56.3 13 11 A T E S+a 37 0A 1 76,-2.5 78,-0.3 -2,-0.5 25,-0.1 -0.572 77.3 18.4 -81.1 147.3 -7.1 -8.0 -53.8 14 12 A G S S+ 0 0 19 23,-0.6 3,-0.3 -2,-0.2 6,-0.3 0.970 76.7 151.3 62.2 57.6 -9.9 -10.6 -53.6 15 13 A A + 0 0 3 22,-2.3 23,-0.1 -3,-0.3 -1,-0.1 0.122 36.9 94.3-111.9 16.6 -11.2 -9.8 -57.0 16 14 A S S S+ 0 0 36 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.681 93.9 9.4 -83.9 -18.5 -12.8 -13.2 -58.1 17 15 A R S >> S- 0 0 139 -3,-0.3 4,-1.7 160,-0.0 3,-0.9 -0.959 103.7 -8.6-153.1 169.6 -16.3 -12.3 -57.0 18 16 A G H 3> S- 0 0 23 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.016 119.9 -0.1 46.0-132.8 -18.7 -9.7 -55.7 19 17 A I H 3> S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.838 133.4 54.2 -61.5 -38.2 -17.4 -6.3 -54.7 20 18 A G H <> S+ 0 0 0 -3,-0.9 4,-2.4 -6,-0.3 -1,-0.2 0.937 110.1 46.3 -63.1 -46.5 -13.8 -7.2 -55.5 21 19 A Q H X S+ 0 0 45 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.921 112.0 51.8 -60.2 -44.1 -14.7 -8.3 -59.0 22 20 A A H X S+ 0 0 20 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.874 109.6 49.7 -63.2 -37.8 -16.8 -5.1 -59.5 23 21 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.909 108.2 53.3 -66.4 -43.0 -13.9 -2.9 -58.4 24 22 A A H X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.883 112.5 44.1 -58.5 -40.9 -11.5 -4.6 -60.8 25 23 A L H X S+ 0 0 42 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.850 111.5 53.1 -74.3 -38.1 -13.8 -4.0 -63.7 26 24 A E H X S+ 0 0 6 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.941 111.7 44.9 -62.6 -47.8 -14.6 -0.4 -62.7 27 25 A L H <>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 -2,-0.2 0.891 114.1 50.7 -65.0 -38.9 -10.9 0.5 -62.5 28 26 A G H ><5S+ 0 0 11 -4,-1.8 3,-2.2 -5,-0.3 -2,-0.2 0.944 107.4 53.1 -59.5 -48.6 -10.3 -1.4 -65.8 29 27 A R H 3<5S+ 0 0 108 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.839 104.5 56.0 -55.4 -36.1 -13.2 0.6 -67.4 30 28 A L T 3<5S- 0 0 16 -4,-1.8 -25,-3.2 -5,-0.2 -24,-0.3 0.412 129.0 -97.4 -76.2 -3.6 -11.5 3.8 -66.3 31 29 A G T < 5S+ 0 0 21 -3,-2.2 -24,-0.7 1,-0.3 -3,-0.2 0.436 75.6 138.4 106.8 1.3 -8.3 2.8 -68.1 32 30 A A < - 0 0 6 -5,-2.2 2,-0.7 -26,-0.2 -1,-0.3 -0.391 58.6-118.1 -74.9 155.5 -6.1 1.2 -65.5 33 31 A V E -a 9 0A 42 -25,-3.0 -23,-2.6 -28,-0.3 2,-0.4 -0.898 42.9-148.1 -87.3 117.2 -4.1 -2.0 -66.0 34 32 A V E -ac 10 58A 0 23,-2.3 25,-1.9 -2,-0.7 2,-0.6 -0.759 23.6-171.7-106.1 130.9 -5.6 -4.2 -63.4 35 33 A I E -ac 11 59A 0 -25,-2.7 -23,-2.9 -2,-0.4 2,-0.4 -0.965 15.4-171.5-114.3 112.7 -4.1 -7.0 -61.3 36 34 A G E -ac 12 60A 0 23,-2.3 25,-2.1 -2,-0.6 2,-0.3 -0.869 5.9-152.7-108.2 140.1 -6.7 -8.9 -59.4 37 35 A T E +ac 13 61A 3 -25,-2.0 -22,-2.3 -2,-0.4 -23,-0.6 -0.843 17.2 173.1-115.7 150.6 -5.8 -11.5 -56.8 38 36 A A E - c 0 62A 8 23,-2.1 25,-2.4 -2,-0.3 6,-0.0 -0.841 38.8-118.6-134.5 176.3 -7.4 -14.6 -55.3 39 37 A T S S+ 0 0 112 -2,-0.3 2,-0.3 23,-0.2 23,-0.1 0.663 93.8 55.0 -92.5 -20.8 -6.0 -17.2 -52.9 40 38 A S S > S- 0 0 50 21,-0.1 4,-1.5 1,-0.1 -2,-0.2 -0.778 80.8-125.2-109.0 159.3 -6.3 -20.2 -55.3 41 39 A A H > S+ 0 0 73 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.833 111.7 57.4 -69.0 -35.2 -5.0 -20.7 -58.8 42 40 A S H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.937 109.1 46.8 -60.6 -45.1 -8.5 -21.5 -60.1 43 41 A G H > S+ 0 0 10 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.816 109.0 53.9 -64.8 -35.6 -9.6 -18.1 -58.9 44 42 A A H X S+ 0 0 11 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.911 110.9 47.1 -64.8 -41.7 -6.5 -16.4 -60.4 45 43 A E H X S+ 0 0 129 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.912 109.1 53.1 -64.9 -43.4 -7.4 -17.9 -63.7 46 44 A K H X S+ 0 0 88 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.850 106.9 53.0 -60.6 -36.9 -11.0 -16.9 -63.4 47 45 A I H X S+ 0 0 3 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.946 107.0 52.7 -60.5 -47.8 -10.0 -13.3 -62.8 48 46 A A H X S+ 0 0 42 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.913 110.3 47.0 -57.3 -45.7 -7.9 -13.4 -65.9 49 47 A E H X S+ 0 0 122 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.952 110.7 51.7 -61.7 -49.4 -10.8 -14.6 -68.0 50 48 A T H X S+ 0 0 24 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.906 110.5 49.4 -50.4 -48.2 -13.2 -12.0 -66.6 51 49 A L H <>S+ 0 0 5 -4,-2.6 5,-3.2 2,-0.2 3,-0.3 0.890 114.0 45.0 -61.0 -42.2 -10.7 -9.2 -67.4 52 50 A K H ><5S+ 0 0 177 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.929 109.9 54.8 -63.6 -50.4 -10.3 -10.5 -71.0 53 51 A A H 3<5S+ 0 0 82 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.621 113.0 43.9 -59.6 -16.6 -14.1 -10.9 -71.4 54 52 A N T 3<5S- 0 0 90 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.176 115.7-111.1-114.8 15.0 -14.5 -7.2 -70.4 55 53 A G T < 5 + 0 0 74 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.772 68.2 144.7 64.4 29.9 -11.6 -5.8 -72.5 56 54 A V < - 0 0 16 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.2 -0.867 45.7-134.4-105.9 125.7 -9.4 -5.0 -69.5 57 55 A E + 0 0 136 -2,-0.5 -23,-2.3 -25,-0.3 2,-0.3 -0.572 61.5 68.8 -76.2 137.0 -5.7 -5.3 -69.6 58 56 A G E -c 34 0A 22 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.964 65.3 -96.3 159.7-140.4 -4.0 -7.0 -66.7 59 57 A A E -c 35 0A 27 -25,-1.9 -23,-2.3 -2,-0.3 2,-0.4 -0.978 16.2-119.6-168.8 160.6 -3.7 -10.3 -64.9 60 58 A G E -c 36 0A 18 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.960 34.8-176.2-110.6 141.4 -4.9 -12.6 -62.1 61 59 A L E -c 37 0A 43 -25,-2.1 -23,-2.1 -2,-0.4 2,-0.5 -0.939 29.9-114.1-133.6 159.0 -2.5 -13.7 -59.4 62 60 A V E +c 38 0A 69 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.798 43.1 167.8 -89.9 127.9 -2.4 -15.9 -56.3 63 61 A L - 0 0 5 -25,-2.4 2,-0.6 -2,-0.5 -49,-0.1 -0.988 26.9-165.0-144.8 129.9 -1.9 -13.8 -53.2 64 62 A D > - 0 0 73 -2,-0.4 3,-1.9 3,-0.2 7,-0.4 -0.935 7.8-165.9-113.3 103.3 -2.2 -14.7 -49.5 65 63 A V T 3 S+ 0 0 17 -2,-0.6 45,-0.2 1,-0.3 44,-0.1 0.562 84.2 65.5 -70.5 -6.1 -2.3 -11.3 -47.6 66 64 A S T 3 S+ 0 0 66 1,-0.1 2,-0.5 43,-0.1 -1,-0.3 0.561 93.1 74.1 -86.1 -10.4 -1.7 -13.1 -44.3 67 65 A S <> - 0 0 29 -3,-1.9 4,-2.3 1,-0.1 -3,-0.2 -0.921 63.1-157.5-113.4 122.9 1.8 -14.1 -45.4 68 66 A D H > S+ 0 0 109 -2,-0.5 4,-2.6 2,-0.2 5,-0.2 0.842 100.0 52.8 -57.4 -37.7 4.9 -11.8 -45.7 69 67 A E H > S+ 0 0 163 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.946 109.0 47.9 -66.7 -48.3 6.4 -14.2 -48.2 70 68 A S H > S+ 0 0 22 1,-0.2 4,-2.6 -6,-0.2 5,-0.2 0.919 114.4 47.4 -56.3 -48.4 3.3 -14.3 -50.4 71 69 A V H X S+ 0 0 7 -4,-2.3 4,-2.2 -7,-0.4 -2,-0.2 0.917 114.7 45.2 -60.5 -48.2 3.1 -10.4 -50.3 72 70 A A H X S+ 0 0 56 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.958 116.7 44.3 -62.0 -51.6 6.9 -10.0 -51.1 73 71 A A H X S+ 0 0 44 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.933 114.3 48.5 -59.6 -53.4 7.0 -12.5 -53.9 74 72 A T H X S+ 0 0 13 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.921 111.0 51.1 -53.4 -48.4 3.8 -11.4 -55.5 75 73 A L H X S+ 0 0 11 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.871 110.2 48.9 -62.2 -36.5 4.8 -7.7 -55.4 76 74 A E H X S+ 0 0 108 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.904 108.3 54.2 -69.0 -42.9 8.1 -8.5 -57.1 77 75 A H H X S+ 0 0 105 -4,-2.5 4,-2.0 1,-0.2 5,-0.3 0.916 110.5 46.9 -51.1 -48.9 6.3 -10.6 -59.8 78 76 A I H X>S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-2.0 0.890 109.8 53.6 -62.7 -42.5 4.2 -7.5 -60.6 79 77 A Q H <5S+ 0 0 79 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.892 111.8 44.0 -62.7 -42.8 7.2 -5.2 -60.6 80 78 A Q H <5S+ 0 0 134 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.932 125.6 28.3 -68.4 -46.9 9.1 -7.2 -63.2 81 79 A H H <5S+ 0 0 139 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.873 136.7 11.3 -88.0 -40.3 6.3 -8.0 -65.6 82 80 A L T <5S- 0 0 64 -4,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.703 99.4-107.4-114.1 -31.5 3.8 -5.1 -65.4 83 81 A G < - 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